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    [热点] 论文投稿,期刊推荐 中原小帕菜 2025-12-06 刚刚
    [Gaussian] 【求助】怎么用高斯03计算ESR谱的g因子 (1/478) xiguatailan 2009-11-04 2009-11-13 22:11:18 by zxyan
    [Gaussian] 【讨论】分子极性 (2/573) majun04 2009-11-03 2009-11-13 22:09:50 by shengxiaohong
    [Gaussian] 【求助】Gaussian (2/218) 红枫叶186 2009-11-01 2009-11-13 22:09:35 by 200472027
    [其他] 【求助】模拟差分法公式 (0/85) 张玲屏 2009-11-04 2009-11-13 22:09:24 by 张玲屏
    [量化图形 ] 【求助】四圆环过渡态的寻找及势能面的作图 (6/750) chemzhh 2009-11-04 2009-11-13 22:08:14 by samsaratyz
    [Gaussian] 【求助】高手不理,菜鸟不会的IRC问题! (评阅+1) (9/838) zhaooming 2009-10-27 2009-11-13 22:08:10 by 3867826
    [Gaussian] 【求助】给看下这是怎么回事? (3/512) 小虫迷 2009-11-04 2009-11-13 22:08:08 by LuPeng5366
    [Gaussian] 【讨论】关于Gaussian中输出文件的问题。    ( 1 2 ) (评阅+1) (12/1307) gonemrc 2009-11-03 2009-11-13 22:08:02 by gonemrc
    [Gaussian] 【求助】求助 (5/605) caozf 2009-11-04 2009-11-13 22:07:58 by caozf
    [其他] 【转载】Material Studio 5.0 出锅咯 (6/709) yalefield 2009-11-03 2009-11-13 22:06:09 by shengxiaohong
    [Gaussian] 【求助】BOMD终止标准如何确定? (1/221) LuPeng5366 2009-11-05 2009-11-13 22:06:06 by LuPeng5366
    [Gaussian] 【求助】求助 (3/269) caozf 2009-11-05 2009-11-13 22:06:04 by wuqx263
    [Gaussian] 【求助】做静电势时格点的选取 (3/342) wuy069 2009-11-06 2009-11-13 22:06:03 by wuy069
    [Gaussian] 【求助】高斯计算 (7/508) caibenluo 2009-11-02 2009-11-13 22:06:00 by yjcmwgk
    [Gaussian] 【求助】用TD做激发能似乎进入死循环了    ( 1 2 ) (11/1068) kite2005 2009-03-03 2009-11-13 22:05:58 by yjcmwgk
    [Gaussian] 【求助】gaussview为什么打不开频率计算后的CHK文件?    ( 1 2 ) 5 (14/1689) Dream-weaver 2009-09-02 2009-11-13 22:05:53 by dwma
    [Gaussian] 【求助】关于高斯电荷的问题 (8/1574) shuikuliu 2009-05-04 2009-11-13 22:05:51 by 3867826
    [Gaussian] 【讨论】gaussian09安装    ( 1 2 3 4 ) (31/3249) sheskybird 2009-09-04 2009-11-13 22:04:09 by superfan
    [Gaussian] 【求助】算到一步的时候就自动退出 (3/384) gonemrc 2009-11-07 2009-11-13 22:04:05 by gonemrc
    [Gaussian] 【求助】频率和优化计算不报错自动退出!!! (评阅+1) (9/521) xner 2009-11-06 2009-11-13 22:04:00 by mengfc
    [Gaussian] 【求助】ONIOM(mp2/tzvp:b3lyp/tzvp) 算NMR,结果怎么解释啊? (0/187) G03W 2009-11-07 2009-11-13 22:02:43 by G03W
    [Gaussian] 【求助】请问怎么样计算分子的电化学性质 (1/200) linhuisnd 2009-11-06 2009-11-13 22:02:32 by G03W
    [Gaussian] 【求助】混合基组计算常见的一个错误如何解决? (1/195) yuhuobuku 2009-11-07 2009-11-13 22:02:25 by erylingjet
    [Gaussian] 【求助】关于文献中计算水平是否用Restricted (1/395) yetaibing 2009-11-07 2009-11-13 22:01:12 by major016
    [其他] 【讨论】A stereo view of the Fo- Fc omit map around the processing site (0/469) 许安 2009-11-07 2009-11-13 22:01:02 by 许安
    [Gaussian] 【求助】什么是垂直激发能? (8/831) vallen 2009-09-23 2009-11-13 22:00:03 by fineren
    [其他] 【求助】纳米超结构形成机理的分子模拟? (0/159) liuguan 2009-11-08 2009-11-13 21:59:37 by liuguan
    [Gaussian] 【求助】计算频率出错 (4/471) onion007 2009-11-07 2009-11-13 21:59:22 by swyswy
    [Gaussian] 【求助】请教IRC计算出现的一个问题 (9/880) dongda986 2009-11-07 2009-11-13 21:56:33 by dongda986
    [Gaussian] 【求助】[求助]激发态的振子强度 (4/450) javy 2009-11-06 2009-11-13 21:53:20 by javy
    [Gaussian] 【求助】关于写关键词的问题 4 (5/395) caozf 2009-11-09 2009-11-13 21:53:13 by aaacjj
    [Gaussian] 【讨论】Population analysis 中如何确定轨道系数?? (8/768) hzfish 2009-11-08 2009-11-13 21:51:13 by hzfish
    [Gaussian] 【求助】Frank-Condon因子的定义是什么?用高斯能不能算得? (3/924) vallen 2009-09-24 2009-11-13 21:50:53 by vallen
    [Gaussian] 【求助】计算极化 (7/771) 1983liuhb 2009-11-09 2009-11-13 21:49:19 by 冬天里的骄阳
    [Gaussian] 【求助】高斯计算时内部输入文件被删除,怎么回事? (1/241) honeyman 2009-11-09 2009-11-13 21:47:55 by honeyman
    [Gaussian] 【求助】有人算过一个分子的13C NMR值吗? 1 (5/1511) happyly3882 2009-11-02 2009-11-13 21:47:47 by tigermartinwang
    [Gaussian] 【求助】格林函数 (1/395) caibenluo 2009-11-09 2009-11-13 21:47:27 by jiewei
    [Gaussian] 【讨论】电子密度差计算 (8/897) yyx19840628 2009-11-10 2009-11-13 21:46:03 by yyx19840628
    [Gaussian] 【求助】求助关于Gaussian09计算非谐性频率 (0/251) xixi1007 2009-11-10 2009-11-13 21:45:53 by xixi1007
    [Gaussian] 【求助】溶剂化输入文件问题 2 (3/598) xner 2009-11-05 2009-11-13 21:45:41 by xner
    【求助】namd中膜蛋白嵌入膜的问题 (4/290) 200472027 2009-11-10 2009-11-13 21:44:05 by 200472027
    [Gaussian] 【求助】用高斯计算怎么得到 Franck-Condon因子? 4 (1/666) vallen 2009-11-10 2009-11-13 21:43:14 by beefly
    [Gaussian] 【求助】CCSD(T)和Freq及Polar组合问题 (4/463) forestwolf9291 2009-11-10 2009-11-13 21:42:59 by blsas
    [Gaussian] 【求助】gaussian中的一些问题 6 (评阅+1) (3/589) caozf 2009-11-10 2009-11-13 21:41:46 by yjcmwgk
    [版务] 【公告】RCS第一届编辑部正式成立了    ( 1 2 3 4 5 6 .. 8 ) (73/2561) yjcmwgk 2009-11-04 2009-11-13 21:40:32 by dongming19
    [Gaussian] 【求助】关于斯图加特基组(the Stuttgart group) (3/455) piaoran168 2009-11-11 2009-11-13 21:39:18 by piaoran168
    [Gaussian] 【讨论】如何设置温度和压力参数的输入文件 (5/373) piaoran168 2009-11-11 2009-11-13 21:38:53 by yytsnake
    [Gaussian] [专家] 【求助】g09 numeric second hyperpolarizabilities (1/134) ggdh 2009-11-10 2009-11-13 21:38:40 by ggdh
    [量化图形 ] 【求助】gaussiview 作图 (1/403) yanmingsun18 2009-11-11 2009-11-13 21:38:29 by xiemin8761
    [Gaussian] 【求助】请大家帮忙解释一下这个基组? (4/381) xiaofen 2009-11-05 2009-11-13 21:36:33 by xiaofen
    [Gaussian] 【讨论】请教一个电脑配置 (0/215) sunday6392 2009-11-11 2009-11-13 21:35:53 by sunday6392
    [其他] 【求助】金属 光谱项 一般去那里查? (2/458) 3867826 2009-11-11 2009-11-13 21:35:36 by beefly
    [Gaussian] 【求助】关于双位扫描 (0/241) yu10230612 2009-11-12 2009-11-13 21:34:47 by yu10230612
    [Gaussian] 【求助】求软件 60 (1/380) lsq_phi 2009-11-11 2009-11-13 21:33:53 by lsq_phi
    [Gaussian] 【求助】结构优化和频率计算后的能量问题    ( 1 2 ) (评阅+1) (12/965) aaacjj 2009-11-11 2009-11-13 21:32:58 by aaacjj
    [Gaussian] 【求助】rotational constants(转动常数)能用来分析什么啊? (2/457) G03W 2009-11-07 2009-11-13 21:32:24 by 467266420
    [Gaussian] 【求助】关于 过渡态和自由能面的问题 (2/523) jiangning198511 2009-11-06 2009-11-13 21:32:16 by 467266420
    [量化图形 ] 【求助】请教各位大虾——研究反应过程 (2/170) tyrashun 2009-11-13 2009-11-13 21:30:22 by tyrashun
    [ChemOff ] 【求助】【求助】chem3D中MOPAC模块storage not enough 2 (2/358) frogwoman 2009-11-13 2009-11-13 21:28:13 by frogwoman
    [版务] 【讨论】请本版的版主看看,请问这个版能不能改下名字? (评阅+2) (9/241) qzhaosdu 2009-11-06 2009-11-13 21:27:56 by yjcmwgk
    [Gaussian] 【求助】怎样计算NO和NH3的反应路径 (1/147) gaohe25 2009-11-13 2009-11-13 21:26:49 by zhangmt
    [Gaussian] 【求助】gaussian 可以算分子的直径与尺寸吗? (4/635) chuchu6816 2009-11-13 2009-11-13 21:26:22 by chuchu6816
    [Gaussian] 【求助】高斯中能得到rotational constants(转动常数)吗? 3 (4/959) vallen 2009-11-06 2009-11-13 21:26:13 by chuchu6816
    [Gaussian] 【求助】Gaussian算的homo和lumo绝对能量准确吗? (5/873) huangshp 2009-11-12 2009-11-13 21:24:11 by 172304
    [Gaussian] 【求助】请问计算溶剂化能改变alpha值对结果怎么没有影响? 2 (0/112) kgwang112 2009-11-12 2009-11-13 21:23:53 by kgwang112
    [Gaussian] 【求助】溶液中溶剂和溶质之间相互作用能的具体模拟过程 (7/715) xchboss 2009-03-24 2009-11-13 20:47:07 by yytsnake
    [Gaussian] 做表面计算应选取哪个晶面比较好? (0/152) xiemin8761 2009-11-13 2009-11-13 16:52:41 by xiemin8761
    【求助】guassian计算化合物的核磁 2 (评阅+1) (0/313) caurabbit 2009-11-12 2009-11-12 21:27:47 by caurabbit
    [Gaussian] 【求助】拉氏图中的Pre-Pro是什么意思? (3/411) Pin 2009-10-28 2009-11-09 17:39:06 by Pin
    [量化图形 ] 【讨论】看看这个图是怎么画的? (评阅+1) (4/453) bbslover 2009-10-01 2009-11-05 11:54:50 by tjegg
    [Gaussian] 【求助】自旋的疑问? (5/385) 贾贾 2009-11-03 2009-11-03 19:39:00 by shengxiaohong
    [其他] 【求助】求药效团模拟软件Catalyst 10 (0/277) kwonglynn 2009-11-03 2009-11-03 17:44:32 by kwonglynn
    [Gaussian] [专家] 【求助】怎么从圆锥交叉在基态势能面上找mep (0/143) ggdh 2009-11-03 2009-11-03 17:39:06 by ggdh
    [Gaussian] [专家] 【求助】g09 TD优化激发态错误 You need to solve for more vectors.... (6/931) ggdh 2009-10-30 2009-11-03 17:32:20 by ggdh
    [其他] [专家] [关贴]【求助】再请教一个能级作图问题 (1/124) jiewei 2009-06-12 2009-11-03 16:34:33 by jiewei
    【求助】VMD画晶胞 (8/1116) wangyujia 2009-10-16 2009-11-03 16:05:52 by wangyujia
    [Gaussian] 【求助】如何计算升华热?! 10 (金币≥10)(0/27) zxw2222 2009-11-03 2009-11-03 15:27:13 by zxw2222
    [Gaussian] 【求助】请问advances in quantum chemistry这套书那里能搞到啊 (2/170) coolrainbow 2009-10-21 2009-11-03 15:17:53 by xuruikl
    [Gaussian] 【求助】有在Ubuntu9.04系统上装g03的吗?我的.bashrc总是弄不好 (4/367) proton00 2009-10-31 2009-11-03 13:00:20 by fineren
    [Gaussian] 【求助】opt+freq之后能量为什么不是最低?    ( 1 2 ) (12/966) hbnuwangshuling 2009-11-01 2009-11-03 12:43:24 by sculhf
    [Gaussian] 【求助】请教:原子生成热是咋回事 (1/448) dwma 2009-11-03 2009-11-03 10:42:06 by zhou2009
    [Gaussian] 【求助】求助关于Gaussian09的IOP说明 (5/488) xixi1007 2009-11-02 2009-11-03 09:55:51 by xixi1007
    [Gamess/ ] 【求助】求助:PC-gamess, gamess-US功能差异 (3/734) lihb734 2009-10-31 2009-11-03 03:14:50 by beefly
    [Gaussian] 【求助】QCISD方法对过渡态进行单点能校正 (1/756) sheskybird 2009-11-02 2009-11-02 23:08:59 by samsaratyz
    [Gaussian] 【讨论】高斯能处理同位素问题吗? (4/1103) 3867826 2009-10-27 2009-11-02 21:26:03 by jeanie163
    [其他] 【求助】哪位高人有VASP的完全使用手册?详解的.谢! (2/204) 学员UKbkc5 2009-11-01 2009-11-02 18:39:06 by xijinyang
    [Gaussian] 【求助】GAR2PED求助 8 (1/254) lsq_phi 2009-11-02 2009-11-02 16:18:43 by cationly
    [Gaussian] 【求助】关于TD-DFT计算紫外光谱及采用分子轨道进行解释的几个问题 (9/2415) faqianliu 2009-11-02 2009-11-02 15:05:15 by faqianliu
    [其他] 【求助】分子模拟的就业情况    ( 1 2 ) (16/1558) tangbaowei 2009-09-30 2009-11-02 09:45:19 by tangbaowei
    [Gaussian] 【求助】如何计算单线态和三线态能量 (6/1029) yy10841010 2009-10-30 2009-11-02 08:40:16 by yy10841010
    [Gaussian] 【求助】怎样将cif文件转换成gif文件 1 (评阅+1) (4/2202) wsmkas 2009-10-30 2009-11-01 18:47:57 by liuxiaocunde
    [Gaussian] 【求助】大分子荧光发射光谱计算 (6/687) kewei09 2009-10-29 2009-11-01 18:39:46 by liuxiaocunde
    [Gaussian] 【求助】如何从cis文件中找发射光谱 5 (6/425) tritiger 2009-10-30 2009-11-01 18:32:56 by liuxiaocunde
    [Gaussian] 【求助】高斯频率校正(校正因子)如何输入? (9/2538) CKX 2009-10-31 2009-11-01 18:31:51 by liuxiaocunde
    [其他] 【求助】想做些模拟,怎么入门 (1/263) landauhc 2009-11-01 2009-11-01 16:26:00 by shengxiaohong
    [Gaussian] 【求助】现次请教一个Gaussian问题。 (7/867) gonemrc 2009-10-31 2009-11-01 16:08:49 by 8tao7
    [版务] 【其他】杂志征名活动正式结束,请相关虫友回帖领金币!(奖励专贴)    ( 1 2 3 4 ) (35/1726) yjcmwgk 2009-10-29 2009-11-01 15:40:00 by tangbaowei
    [Gaussian] 【求助】金属配合物计算输出文件问题    ( 1 2 ) (10/920) xuhu_11 2009-10-31 2009-11-01 14:20:08 by xuhu_11
    [版务] 投票:  【讨论】成立高斯独立版块的可行性    ( 1 2 3 4 5 ) (46/1460) csfn 2009-09-10 2009-11-01 13:56:01 by 虚谦
    [Gaussian] 【求助】查看程序是否免费? (3/294) wuy069 2009-10-31 2009-11-01 10:32:01 by wuy069
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